instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
|---|---|---|---|
Below is a description of a material. | The chemical formula is: BiS2.
The XRD pattern shows main peaks at: 14.0°(0.2), 15.6°(0.13), 21.5°(0.68), 22.4°(0.28), 23.0°(0.28), 23.6°(0.57), 25.4°(0.19), 26.7°(0.36), 28.5°(1.0), 30.6°(0.44), 34.1°(0.49), 36.7°(0.17), 37.8°(0.3), 39.8°(0.21), 43.4°(0.19), 44.7°(0.28), 45.7°(0.2), 47.9°(0.18), 50.2°(0.16), 55.3°(0.1... | JVASP-30460 | 4.05 8.25 9.34
81 77 75
Bi 0.295 0.302 0.109
Bi 0.397 0.826 0.380
Bi 0.603 0.174 0.620
Bi 0.705 0.698 0.891
S 0.345 0.470 0.839
S 0.787 0.078 0.348
S 0.923 0.620 0.533
S 0.213 0.922 0.652
S 0.036 0.876 0.051
S 0.077 0.380 0.467
S 0.655 0.530 0.161
S 0.964 0.124 0.949 |
Below is a description of a material. | The chemical formula is: Y2AlCu.
The XRD pattern shows main peaks at: 25.0°(0.11), 35.7°(1.0), 51.4°(0.17), 64.2°(0.31), 75.6°(0.09), 86.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183124 | 5.03 5.03 5.03
60 60 60
Y 0.250 0.250 0.250
Y 0.750 0.750 0.750
Al 0.500 0.500 0.500
Cu -0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: Na4WO4.
The XRD pattern shows main peaks at: 17.6°(0.57), 22.1°(1.0), 25.0°(0.23), 33.6°(0.77), 35.6°(0.05), 36.9°(0.24), 40.0°(0.38), 41.2°(0.13), 42.3°(0.12), 45.1°(0.1), 49.8°(0.17), 55.5°(0.25), 56.5°(0.16), 57.8°(0.12), 64.4°(0.12), 68.6°(0.18), 70.6°(0.14), 74.2°(0.07), 75.8°(0.05), 81.3°... | JVASP-42416 | 4.87 5.60 5.60
100 115 64
Na 0.412 0.389 0.214
Na 0.198 0.214 0.611
Na 0.802 0.786 0.389
Na 0.588 0.611 0.786
W 0.000 0.000 0.000
O 0.917 0.337 0.172
O 0.745 0.172 0.663
O 0.255 0.828 0.337
O 0.083 0.663 0.828 |
Below is a description of a material. | The chemical formula is: Mg6CuMo.
The XRD pattern shows main peaks at: 15.0°(0.8), 19.1°(0.08), 23.3°(0.18), 25.5°(0.11), 28.1°(0.12), 36.8°(1.0), 37.5°(0.43), 38.7°(0.12), 41.7°(0.25), 42.3°(0.08), 44.5°(0.09), 47.7°(0.12), 50.5°(0.16), 51.0°(0.11), 61.7°(0.09), 65.1°(0.09), 67.4°(0.07), 72.3°(0.08), 72.9°(0.13), 77.3... | JVASP-94189 | 6.02 6.02 4.33
90 90 101
Mg 0.118 0.857 0.250
Mg 0.643 0.382 0.250
Mg 0.599 0.901 0.250
Mg 0.318 0.588 0.750
Mg 0.912 0.182 0.750
Mg 0.821 0.679 0.750
Cu 0.204 0.296 0.250
Mo 0.386 0.114 0.750 |
Below is a description of a material. | The chemical formula is: RuRh.
The XRD pattern shows main peaks at: 38.1°(0.22), 41.7°(0.25), 43.7°(1.0), 57.8°(0.14), 68.9°(0.15), 77.5°(0.17), 83.9°(0.2), 85.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101124 | 2.72 2.72 4.33
90 90 119
Ru 0.000 0.000 0.500
Rh 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Ca3AuN.
The XRD pattern shows main peaks at: 18.5°(0.54), 26.3°(0.66), 32.3°(1.0), 37.5°(0.56), 42.1°(0.31), 46.3°(0.32), 54.0°(0.38), 57.6°(0.17), 61.0°(0.14), 64.4°(0.37), 67.6°(0.13), 70.8°(0.07), 73.9°(0.16), 79.9°(0.06), 82.9°(0.1), 85.9°(0.09), 88.8°(0.15).
Generate atomic structure descr... | JVASP-16120 | 4.80 4.80 4.80
90 90 90
Ca 0.500 0.000 0.500
Ca 0.000 0.500 0.500
Ca 0.500 0.500 0.000
Au 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgHS.
The XRD pattern shows main peaks at: 20.9°(1.0), 24.7°(0.46), 32.6°(0.39), 42.4°(0.13), 43.5°(0.39), 48.7°(0.53), 49.7°(0.11), 55.4°(0.08), 62.4°(0.24), 82.2°(0.11), 83.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139048 | 4.16 4.16 4.26
90 90 120
Mg 0.333 0.667 0.000
H 0.000 0.000 0.000
S 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: NbGeRh.
The XRD pattern shows main peaks at: 18.1°(0.07), 36.1°(1.0), 36.6°(0.11), 38.1°(0.75), 38.6°(0.22), 43.1°(0.4), 43.5°(0.23), 45.4°(0.23), 45.8°(0.09), 46.9°(0.39), 48.6°(0.22), 49.8°(0.09), 62.3°(0.16), 65.9°(0.13), 67.7°(0.06), 69.8°(0.12), 70.8°(0.16), 78.8°(0.13), 79.9°(0.09), 81.2°... | JVASP-152315 | 3.87 6.49 7.49
90 90 90
Nb 0.250 0.972 0.320
Nb 0.750 0.528 0.820
Nb 0.750 0.028 0.680
Nb 0.250 0.472 0.180
Ge 0.250 0.741 0.623
Ge 0.750 0.759 0.123
Ge 0.750 0.259 0.377
Ge 0.250 0.241 0.877
Rh 0.250 0.356 0.562
Rh 0.750 0.144 0.062
Rh 0.750 0.644 0.438
Rh 0.250 0.856 0.938 |
Below is a description of a material. | The chemical formula is: MgCu4Sn.
The XRD pattern shows main peaks at: 21.7°(0.18), 25.1°(0.16), 35.8°(0.29), 42.3°(1.0), 44.2°(0.39), 68.8°(0.32), 75.9°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15251 | 5.01 5.01 5.01
60 60 60
Mg 0.250 0.250 0.250
Cu 0.127 0.624 0.624
Cu 0.624 0.624 0.127
Cu 0.624 0.127 0.624
Cu 0.624 0.624 0.624
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgZr3Ti2.
The XRD pattern shows main peaks at: 6.5°(0.22), 13.1°(0.06), 19.7°(0.17), 29.3°(0.15), 35.6°(1.0), 39.8°(0.09), 41.9°(0.34), 46.7°(0.07), 60.8°(0.11), 72.5°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188731 | 3.05 3.05 13.52
90 90 90
Mg 0.500 0.500 0.500
Zr 0.000 0.000 0.000
Zr 0.000 -0.000 0.689
Zr -0.000 0.000 0.311
Ti 0.500 0.500 0.841
Ti 0.500 0.500 0.159 |
Below is a description of a material. | The chemical formula is: ThAg3.
The XRD pattern shows main peaks at: 24.3°(0.18), 27.2°(0.08), 31.5°(0.27), 36.8°(1.0), 37.5°(0.23), 49.7°(0.15), 56.1°(0.18), 67.1°(0.17), 68.9°(0.13), 69.4°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109607 | 6.56 6.56 4.80
90 90 120
Th 0.333 0.667 0.750
Th 0.667 0.333 0.250
Ag 0.150 0.300 0.250
Ag 0.700 0.850 0.250
Ag 0.150 0.850 0.250
Ag 0.850 0.700 0.750
Ag 0.300 0.150 0.750
Ag 0.850 0.150 0.750 |
Below is a description of a material. | The chemical formula is: Ba2InBiO6.
The XRD pattern shows main peaks at: 17.9°(0.05), 29.5°(1.0), 42.2°(0.29), 52.3°(0.42), 61.2°(0.18), 69.4°(0.17), 77.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108806 | 6.06 6.06 6.06
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
In 0.000 0.000 0.000
Bi 0.500 0.500 0.500
O 0.251 0.251 0.749
O 0.749 0.749 0.251
O 0.749 0.251 0.749
O 0.251 0.749 0.251
O 0.749 0.251 0.251
O 0.251 0.749 0.749 |
Below is a description of a material. | The chemical formula is: K2BaBe.
The XRD pattern shows main peaks at: 8.2°(0.69), 16.4°(0.17), 22.8°(1.0), 24.7°(0.33), 26.9°(0.91), 30.2°(0.45), 31.3°(0.14), 34.5°(0.11), 39.4°(0.4), 39.7°(0.24), 43.2°(0.17), 45.5°(0.08), 47.4°(0.18), 49.3°(0.23), 50.4°(0.19), 51.6°(0.29), 60.1°(0.14), 66.0°(0.14), 68.5°(0.07), 76.6°(... | JVASP-69057 | 4.19 4.19 10.80
90 90 90
K 0.000 0.000 0.676
K 0.000 0.000 0.324
Ba 0.500 0.500 0.000
Be 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ScTaTi2C4.
The XRD pattern shows main peaks at: 19.9°(0.2), 22.4°(0.72), 28.4°(0.18), 35.0°(1.0), 36.4°(0.21), 40.6°(0.7), 45.7°(0.11), 46.9°(0.22), 55.7°(0.17), 58.8°(0.46), 70.3°(0.3), 73.9°(0.17), 88.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-188868 | 4.44 4.44 5.45
114 114 90
Sc 0.437 0.437 0.000
Ta 0.937 0.937 0.000
Ti 0.187 0.687 0.500
Ti 0.687 0.187 0.500
C 0.937 0.437 0.000
C 0.437 0.937 0.000
C 0.182 0.182 0.491
C 0.692 0.692 0.509 |
Below is a description of a material. | The chemical formula is: RbBaS3.
The XRD pattern shows main peaks at: 15.1°(0.22), 21.4°(1.0), 30.4°(0.58), 34.1°(0.1), 37.5°(0.48), 43.6°(0.45), 46.4°(0.06), 49.1°(0.2), 54.1°(0.15), 58.8°(0.25), 63.3°(0.06), 67.7°(0.13), 71.9°(0.2), 76.0°(0.06), 80.0°(0.13), 84.0°(0.14).
Generate atomic structure description with lat... | JVASP-138021 | 5.87 5.87 5.87
90 90 90
Rb 0.000 0.000 0.000
Ba 0.500 0.500 0.500
S 0.500 0.500 0.000
S 0.500 0.000 0.500
S 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Sr2FeCoO6.
The XRD pattern shows main peaks at: 33.2°(1.0), 40.9°(0.13), 47.6°(0.32), 59.2°(0.33), 69.6°(0.2), 79.2°(0.11), 88.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170409 | 3.81 5.41 5.41
89 90 90
Sr 0.500 0.500 -0.000
Sr 0.500 -0.000 0.500
Fe -0.000 -0.000 -0.000
Co -0.000 0.500 0.500
O 0.000 0.247 0.247
O -0.000 0.753 0.753
O -0.000 0.753 0.247
O 0.000 0.247 0.753
O 0.500 -0.000 -0.000
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaSr2N2.
The XRD pattern shows main peaks at: 27.1°(1.0), 34.1°(0.5), 34.7°(0.26), 36.1°(0.21), 42.3°(0.13), 42.9°(0.28), 51.0°(0.12), 52.0°(0.06), 55.3°(0.09), 55.8°(0.11), 56.9°(0.13), 57.7°(0.1), 67.5°(0.06), 69.3°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-101756 | 4.28 4.21 7.47
89 90 120
Ba 0.047 -0.001 0.500
Sr 0.660 0.335 0.149
Sr 0.325 0.666 0.852
N 0.654 0.341 0.754
N 0.314 0.660 0.246 |
Below is a description of a material. | The chemical formula is: LaH2.
The XRD pattern shows main peaks at: 27.3°(1.0), 31.7°(0.54), 45.4°(0.43), 53.8°(0.49), 56.4°(0.14), 66.2°(0.07), 73.0°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114324 | 3.99 3.99 3.99
90 59 119
La 0.069 0.784 0.074
H 0.569 0.535 0.824
H 0.569 0.035 0.324 |
Below is a description of a material. | The chemical formula is: SrPr2Se4.
The XRD pattern shows main peaks at: 24.0°(0.09), 31.2°(1.0), 37.1°(0.68), 44.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-13373 | 7.86 7.86 7.86
109 109 109
Sr 0.125 0.750 0.875
Sr 0.375 0.250 0.625
Pr 0.250 0.627 0.377
Pr 0.623 0.373 0.250
Pr 0.750 0.873 0.123
Pr 0.877 0.127 0.750
Se 0.145 0.152 0.146
Se 0.507 1.000 0.354
Se 0.355 0.500 0.007
Se 0.507 0.000 0.855
Se 0.646 0.652 0.645
Se 0.993 0.848 0.493
Se 0.854 0.500 0.007
Se 0.993 0.348 0.493 |
Below is a description of a material. | The chemical formula is: RbFe2O2.
The XRD pattern shows main peaks at: 14.3°(0.18), 27.0°(0.34), 28.9°(0.52), 34.0°(0.61), 39.9°(1.0), 45.2°(0.15), 53.4°(0.29), 58.8°(0.46), 59.8°(0.09), 60.9°(0.07), 61.9°(0.23), 64.9°(0.15), 72.5°(0.07), 79.0°(0.08), 84.4°(0.12), 86.1°(0.08).
Generate atomic structure description with... | JVASP-180006 | 6.64 6.64 6.64
150 150 42
Rb -0.000 -0.000 0.000
Fe 0.750 0.250 0.500
Fe 0.250 0.750 0.500
O 0.351 0.351 0.000
O 0.649 0.649 -0.000 |
Below is a description of a material. | The chemical formula is: NdGeRu.
The XRD pattern shows main peaks at: 12.9°(0.3), 24.4°(0.18), 29.3°(0.21), 32.1°(0.46), 33.4°(0.51), 39.5°(1.0), 41.9°(0.61), 44.0°(0.05), 49.0°(0.05), 54.6°(0.24), 57.9°(0.2), 58.8°(0.12), 60.7°(0.21), 70.3°(0.09), 71.1°(0.06), 73.9°(0.2), 74.9°(0.34), 86.0°(0.06), 88.8°(0.07).
Generat... | JVASP-17996 | 4.31 4.31 6.86
90 90 90
Nd 0.500 0.000 0.314
Nd 0.000 0.500 0.686
Ge 0.500 0.000 0.805
Ge 0.000 0.500 0.195
Ru 0.500 0.500 0.000
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaInTe2.
The XRD pattern shows main peaks at: 30.6°(1.0), 31.6°(0.46), 42.3°(0.1), 45.3°(0.17), 53.7°(0.2), 55.6°(0.35), 63.7°(0.11), 66.0°(0.05), 70.1°(0.09), 74.4°(0.07), 75.0°(0.07), 81.5°(0.06), 87.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-69006 | 5.66 5.66 4.28
90 90 90
Ba 0.500 0.500 0.500
In 0.000 0.000 0.500
Te 0.500 0.000 0.000
Te 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: SrC2.
The XRD pattern shows main peaks at: 24.3°(1.0), 33.2°(0.93), 36.1°(0.84), 39.1°(0.17), 44.0°(0.22), 49.8°(0.28), 54.2°(0.39), 57.4°(0.12), 58.1°(0.21), 63.0°(0.27), 64.8°(0.15), 69.7°(0.07), 71.6°(0.1), 76.5°(0.09), 78.4°(0.12), 81.1°(0.08), 81.7°(0.08), 82.9°(0.07), 86.0°(0.1), 89.4°(0.... | JVASP-36235 | 3.69 3.69 3.69
85 85 85
Sr 0.000 0.000 0.000
C 0.591 0.591 0.591
C 0.409 0.409 0.409 |
Below is a description of a material. | The chemical formula is: NdGe2Rh.
The XRD pattern shows main peaks at: 10.4°(0.15), 29.4°(0.44), 33.0°(1.0), 33.4°(0.57), 37.6°(0.35), 39.4°(0.12), 41.0°(0.44), 41.8°(0.42), 47.4°(0.19), 52.7°(0.17), 53.9°(0.32), 57.5°(0.22), 60.0°(0.28), 65.0°(0.13), 68.8°(0.17), 69.7°(0.11), 70.8°(0.11), 72.5°(0.05), 85.4°(0.09), 87.... | JVASP-150031 | 8.80 8.80 4.40
90 90 151
Nd 0.893 0.107 0.750
Nd 0.107 0.893 0.250
Ge 0.539 0.461 0.750
Ge 0.461 0.539 0.250
Ge 0.252 0.748 0.750
Ge 0.748 0.252 0.250
Rh 0.680 0.320 0.750
Rh 0.320 0.680 0.250 |
Below is a description of a material. | The chemical formula is: BaBiF.
The XRD pattern shows main peaks at: 18.0°(0.56), 25.6°(0.42), 31.4°(1.0), 36.4°(0.11), 40.9°(0.69), 45.0°(0.11), 52.7°(0.06), 55.9°(0.14), 62.5°(0.3), 65.5°(0.09), 71.5°(0.14), 80.3°(0.1), 88.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-114532 | 5.70 5.70 3.48
90 90 120
Ba 0.000 0.000 0.000
Bi 0.333 0.667 0.000
F 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Os.
The XRD pattern shows main peaks at: 28.9°(0.12), 36.1°(0.28), 38.5°(0.15), 40.8°(0.95), 41.2°(1.0), 42.7°(0.84), 44.9°(0.4), 48.4°(0.3), 49.2°(0.22), 57.1°(0.16), 58.1°(0.1), 71.2°(0.26), 76.5°(0.17), 76.9°(0.26), 77.3°(0.15), 80.5°(0.12), 81.4°(0.16), 83.7°(0.27), 85.2°(0.13), 86.2°(0.14)... | JVASP-90684 | 5.15 4.68 5.17
90 105 90
Os 0.393 0.338 0.796
Os 0.607 0.838 0.704
Os 0.607 0.662 0.204
Os 0.393 0.162 0.296
Os 0.862 0.342 0.639
Os 0.138 0.842 0.861
Os 0.138 0.658 0.361
Os 0.862 0.158 0.139 |
Below is a description of a material. | The chemical formula is: KZn2As2.
The XRD pattern shows main peaks at: 12.2°(0.99), 23.0°(0.19), 28.9°(1.0), 33.9°(0.51), 38.3°(0.12), 40.4°(0.74), 45.2°(0.51), 47.0°(0.14), 49.5°(0.53), 50.4°(0.14), 54.5°(0.31), 60.7°(0.06), 65.8°(0.16), 69.3°(0.07), 69.9°(0.2), 73.4°(0.06), 76.1°(0.08), 80.1°(0.21), 86.6°(0.18).
Gene... | JVASP-155659 | 7.78 7.78 7.78
150 150 42
K 0.000 0.000 0.000
Zn 0.750 0.250 0.500
Zn 0.250 0.750 0.500
As 0.361 0.361 0.000
As 0.639 0.639 0.000 |
Below is a description of a material. | The chemical formula is: RbPdF.
The XRD pattern shows main peaks at: 21.1°(0.52), 27.7°(0.66), 35.0°(0.32), 36.9°(1.0), 42.9°(0.09), 46.7°(0.97), 51.8°(0.1), 57.1°(0.09), 65.3°(0.1), 66.5°(0.16), 69.9°(0.25), 73.4°(0.23), 78.5°(0.1), 85.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-138922 | 4.87 4.87 3.23
90 90 120
Rb 0.667 0.333 0.000
Pd 0.333 0.667 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeHgPb.
The XRD pattern shows main peaks at: 28.9°(0.23), 30.1°(0.24), 32.7°(1.0), 42.2°(0.24), 51.2°(0.21), 55.1°(0.19), 60.5°(0.21), 62.0°(0.18), 68.4°(0.06), 70.4°(0.08), 78.5°(0.07), 84.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-67299 | 3.57 3.57 5.93
90 90 120
Be 0.000 0.000 0.968
Hg 0.333 0.667 0.736
Pb 0.667 0.333 0.296 |
Below is a description of a material. | The chemical formula is: Sn7Au.
The XRD pattern shows main peaks at: 13.5°(0.05), 23.6°(1.0), 38.9°(0.81), 46.0°(0.55), 56.3°(0.14), 61.8°(0.23), 70.5°(0.3), 75.5°(0.17), 83.6°(0.1), 88.4°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122539 | 6.54 6.54 6.54
90 90 90
Sn 0.240 0.240 0.740
Sn 0.000 0.500 0.000
Sn 0.240 0.760 0.260
Sn 0.500 0.000 0.000
Sn 0.760 0.240 0.260
Sn 0.500 0.500 0.500
Sn 0.760 0.760 0.740
Au 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: VCo2.
The XRD pattern shows main peaks at: 44.0°(1.0), 44.3°(0.93), 51.0°(0.58), 52.3°(0.28), 74.6°(0.08), 75.4°(0.08), 76.0°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185443 | 4.38 3.50 2.52
89 73 66
V 0.077 0.833 0.891
Co 0.737 0.503 0.561
Co 0.417 0.163 0.221 |
Below is a description of a material. | The chemical formula is: ZrAlCo2.
The XRD pattern shows main peaks at: 25.4°(0.19), 42.1°(1.0), 61.1°(0.17), 77.0°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15285 | 4.29 4.29 4.29
60 60 59
Zr 0.500 0.500 0.500
Al 0.000 0.000 0.000
Co 0.250 0.250 0.250
Co 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Sr3Mn2Cu2S2O5.
The XRD pattern shows main peaks at: 27.0°(0.06), 32.4°(0.18), 33.0°(1.0), 35.2°(0.15), 38.4°(0.37), 46.4°(0.4), 58.1°(0.32), 67.8°(0.12), 77.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146527 | 3.91 3.91 13.50
81 81 89
Sr 0.500 0.500 0.000
Sr 0.359 0.359 0.283
Sr 0.641 0.641 0.717
Mn 0.073 0.073 0.854
Mn 0.927 0.927 0.146
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
S 0.804 0.804 0.391
S 0.196 0.196 0.609
O 1.000 0.000 0.000
O 0.919 0.419 0.161
O 0.419 0.919 0.161
O 0.081 0.581 0.839
O 0.581 0.081 0.839 |
Below is a description of a material. | The chemical formula is: Sn.
The XRD pattern shows main peaks at: 30.0°(1.0), 31.6°(0.85), 43.0°(0.36), 44.1°(0.71), 54.3°(0.19), 61.6°(0.25), 62.4°(0.13), 63.3°(0.25), 70.8°(0.17), 78.1°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25339 | 3.22 4.51 4.51
82 69 69
Sn 0.375 0.250 0.750
Sn 0.625 0.750 0.250 |
Below is a description of a material. | The chemical formula is: ScH2O2.
The XRD pattern shows main peaks at: 23.5°(1.0), 27.3°(0.37), 36.4°(0.96), 48.3°(0.65), 54.4°(0.47), 56.2°(0.39), 61.9°(0.18), 77.2°(0.13), 82.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118489 | 3.77 3.77 3.78
90 90 120
Sc 0.000 0.000 0.938
H 0.667 0.333 0.079
H 0.333 0.667 0.424
O 0.667 0.333 0.813
O 0.333 0.667 0.167 |
Below is a description of a material. | The chemical formula is: LaN2.
The XRD pattern shows main peaks at: 20.5°(0.82), 25.9°(1.0), 26.5°(0.46), 31.1°(0.43), 33.2°(0.51), 36.1°(0.41), 37.4°(0.36), 40.9°(0.44), 41.7°(0.19), 45.0°(0.42), 46.3°(0.15), 49.7°(0.25), 53.2°(0.13), 53.8°(0.2), 57.6°(0.12), 60.4°(0.2), 61.3°(0.13), 62.3°(0.13), 62.9°(0.12), 66.0°(0.... | JVASP-118594 | 4.38 3.44 3.40
90 81 90
La 0.467 0.000 -0.200
N -0.138 0.000 0.194
N 0.072 0.000 0.406 |
Below is a description of a material. | The chemical formula is: UCuSi.
The XRD pattern shows main peaks at: 22.8°(0.09), 25.4°(0.44), 34.4°(1.0), 44.8°(0.32), 46.6°(0.1), 50.8°(0.07), 52.2°(0.07), 53.8°(0.13), 57.7°(0.22), 66.6°(0.2), 72.5°(0.05), 75.8°(0.2), 78.5°(0.1), 82.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-102322 | 4.05 4.05 3.90
90 90 120
U 0.333 0.667 0.000
Cu 0.667 0.333 0.500
Si 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: PdCl2.
The XRD pattern shows main peaks at: 13.0°(0.81), 13.6°(0.42), 22.2°(0.26), 23.6°(0.19), 27.3°(0.19), 29.5°(0.14), 35.5°(1.0), 45.4°(0.11), 50.5°(0.23), 51.7°(0.31), 63.2°(0.11), 65.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-5671 | 8.05 8.05 8.05
108 108 108
Pd 0.105 0.328 0.052
Pd 0.328 0.052 0.105
Pd 0.895 0.672 0.948
Pd 0.948 0.895 0.672
Pd 0.672 0.948 0.895
Pd 0.052 0.105 0.328
Cl 0.571 0.624 0.849
Cl 0.624 0.849 0.571
Cl 0.849 0.571 0.624
Cl 0.728 0.055 0.223
Cl 0.151 0.429 0.376
Cl 0.777 0.272 0.945
Cl 0.945 0.777 0.272
Cl 0.272 0.945 0.777... |
Below is a description of a material. | The chemical formula is: TcB.
The XRD pattern shows main peaks at: 30.1°(0.48), 36.0°(0.96), 47.6°(1.0), 62.6°(0.07), 64.7°(0.21), 73.0°(0.22), 74.3°(0.21), 76.3°(0.1), 84.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37066 | 2.88 2.88 5.94
90 90 120
Tc 0.000 0.000 0.500
Tc 0.000 0.000 0.000
B 0.333 0.667 0.250
B 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: NaAlF4.
The XRD pattern shows main peaks at: 14.5°(0.96), 24.8°(0.82), 28.9°(1.0), 29.2°(0.45), 35.4°(0.46), 38.5°(0.58), 44.5°(0.21), 51.0°(0.82), 51.6°(0.64), 53.3°(0.08), 57.5°(0.12), 59.7°(0.29), 60.7°(0.16), 65.8°(0.06), 69.9°(0.15), 74.9°(0.21), 75.5°(0.38), 82.4°(0.09), 83.1°(0.23), 85.7... | JVASP-139137 | 3.58 3.58 6.11
90 90 90
Na 0.000 0.000 0.000
Al 0.500 0.500 0.500
F 0.500 0.000 0.500
F 0.000 0.500 0.500
F 0.500 0.500 0.205
F 0.500 0.500 0.795 |
Below is a description of a material. | The chemical formula is: Be4TeO7.
The XRD pattern shows main peaks at: 20.1°(1.0), 23.2°(0.71), 33.1°(0.37), 39.0°(0.67), 47.5°(0.23), 53.6°(0.29), 63.1°(0.05), 69.5°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12782 | 5.41 5.41 5.41
60 60 60
Be 0.627 0.627 0.627
Be 0.627 0.119 0.627
Be 0.627 0.627 0.119
Be 0.119 0.627 0.627
Te 0.000 0.000 0.000
O 0.750 0.750 0.750
O 0.746 0.254 0.254
O 0.254 0.254 0.746
O 0.746 0.746 0.254
O 0.254 0.746 0.746
O 0.254 0.746 0.254
O 0.746 0.254 0.746 |
Below is a description of a material. | The chemical formula is: PrGa2Pd2.
The XRD pattern shows main peaks at: 17.3°(0.06), 33.3°(0.48), 33.9°(1.0), 34.9°(0.07), 41.4°(0.55), 46.0°(0.16), 49.0°(0.17), 54.1°(0.23), 55.3°(0.09), 60.0°(0.18), 62.0°(0.17), 66.1°(0.13), 70.8°(0.22), 73.8°(0.05), 78.8°(0.06), 85.1°(0.07), 88.4°(0.12).
Generate atomic structure de... | JVASP-156066 | 5.99 5.99 5.99
137 137 61
Pr 0.000 0.000 0.000
Ga 0.375 0.375 -0.000
Ga 0.625 0.625 0.000
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: FeNi3N3.
The XRD pattern shows main peaks at: 15.2°(0.15), 30.6°(0.64), 39.1°(1.0), 48.7°(0.23), 53.0°(0.12), 54.4°(0.37), 58.6°(0.17), 69.0°(0.13), 76.0°(0.24), 84.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-147361 | 6.75 6.75 3.74
90 90 120
Fe 0.667 0.333 0.750
Fe 0.333 0.667 0.250
Ni 0.851 0.702 0.250
Ni 0.851 0.149 0.250
Ni 0.298 0.149 0.250
Ni 0.149 0.298 0.750
Ni 0.149 0.851 0.750
Ni 0.702 0.851 0.750
N 0.815 0.630 0.750
N 0.815 0.185 0.750
N 0.370 0.185 0.750
N 0.185 0.370 0.250
N 0.185 0.815 0.250
N 0.630 0.815 0.250 |
Below is a description of a material. | The chemical formula is: LiCe2Ru.
The XRD pattern shows main peaks at: 22.0°(0.17), 25.5°(0.27), 36.3°(1.0), 42.9°(0.09), 44.9°(0.08), 52.3°(0.17), 59.1°(0.11), 65.4°(0.4), 77.2°(0.12), 88.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39276 | 4.94 4.94 4.94
60 60 60
Li 0.250 0.250 0.250
Ce 0.500 0.500 0.500
Ce 0.000 0.000 0.000
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Li2PrAs2.
The XRD pattern shows main peaks at: 12.6°(0.52), 27.1°(1.0), 35.1°(0.69), 42.1°(0.4), 44.1°(0.13), 45.7°(0.25), 50.8°(0.18), 52.0°(0.06), 56.0°(0.18), 63.9°(0.1), 68.1°(0.16), 69.0°(0.15), 72.5°(0.16), 79.6°(0.1).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-14919 | 4.29 4.29 7.04
90 90 120
Li 0.667 0.333 0.623
Li 0.333 0.667 0.377
Pr 0.000 0.000 0.000
As 0.667 0.333 0.248
As 0.333 0.667 0.752 |
Below is a description of a material. | The chemical formula is: Li2ZnGeS4.
The XRD pattern shows main peaks at: 13.0°(0.54), 19.2°(1.0), 23.8°(0.35), 26.1°(0.26), 27.2°(0.66), 28.4°(0.58), 29.8°(0.24), 30.7°(0.38), 37.4°(0.17), 38.4°(0.34), 39.7°(0.31), 46.7°(0.5), 48.6°(0.23), 51.2°(0.25), 51.8°(0.42), 52.7°(0.12), 55.6°(0.29), 57.2°(0.25), 73.2°(0.16), 82... | JVASP-144319 | 6.28 6.83 7.49
90 90 90
Li 0.507 0.832 0.253
Li 0.007 0.168 0.247
Li 0.007 0.168 0.753
Li 0.507 0.832 0.747
Zn 0.504 0.352 0.000
Zn 0.004 0.648 0.500
Ge 0.007 0.663 0.000
Ge 0.507 0.337 0.500
S 0.881 0.357 0.000
S 0.381 0.643 0.500
S 0.891 0.828 0.243
S 0.391 0.172 0.257
S 0.391 0.172 0.743
S 0.891 0.828 0.757
S 0.364 ... |
Below is a description of a material. | The chemical formula is: LaS2.
The XRD pattern shows main peaks at: 15.3°(0.55), 20.4°(1.0), 25.6°(0.87), 29.0°(0.09), 31.0°(0.05), 33.0°(0.67), 37.4°(0.41), 41.4°(0.16), 42.9°(0.43), 44.5°(0.1), 46.7°(0.19), 47.2°(0.09), 49.4°(0.27), 51.9°(0.13), 57.0°(0.2), 60.1°(0.09), 64.6°(0.06), 68.6°(0.12), 76.6°(0.08).
Generate... | JVASP-116236 | 4.34 4.36 5.78
90 89 90
La 0.467 0.000 0.133
S -0.033 0.000 -0.165
S -0.034 0.000 0.432 |
Below is a description of a material. | The chemical formula is: Ba2UHgO6.
The XRD pattern shows main peaks at: 20.2°(0.1), 28.7°(1.0), 41.0°(0.29), 50.8°(0.44), 59.4°(0.18), 67.2°(0.19), 74.7°(0.06), 81.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100773 | 6.23 6.23 6.23
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
U 0.500 0.500 0.500
Hg 0.000 0.000 0.000
O 0.736 0.264 0.264
O 0.264 0.736 0.736
O 0.264 0.736 0.264
O 0.736 0.264 0.736
O 0.264 0.264 0.736
O 0.736 0.736 0.264 |
Below is a description of a material. | The chemical formula is: BaInO3.
The XRD pattern shows main peaks at: 29.6°(1.0), 42.4°(0.33), 52.6°(0.45), 61.6°(0.19), 69.8°(0.19), 77.6°(0.07), 85.2°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137961 | 4.26 4.26 4.26
89 89 89
Ba -0.006 -0.006 -0.006
In 0.494 0.494 0.494
O 0.494 -0.006 0.494
O 0.494 0.494 -0.006
O -0.006 0.494 0.494 |
Below is a description of a material. | The chemical formula is: SmPPt.
The XRD pattern shows main peaks at: 24.6°(0.26), 33.5°(1.0), 43.3°(0.39), 45.7°(0.1), 52.6°(0.07), 55.8°(0.22), 64.8°(0.24), 73.2°(0.21), 76.7°(0.09), 79.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16328 | 4.18 4.18 3.97
90 90 120
Sm 0.000 0.000 0.000
P 0.667 0.333 0.500
Pt 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: TiFeCoAs.
The XRD pattern shows main peaks at: 43.8°(1.0), 63.7°(0.16), 80.6°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37035 | 4.13 4.13 4.13
60 60 60
Ti 0.500 0.500 0.500
Fe 0.750 0.750 0.750
Co 0.250 0.250 0.250
As 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ca6Al2NF.
The XRD pattern shows main peaks at: 18.1°(0.2), 31.7°(1.0), 36.7°(0.81), 52.9°(0.51), 63.0°(0.38), 66.1°(0.15), 78.1°(0.07), 86.7°(0.07), 89.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38035 | 6.92 6.92 6.92
60 60 60
Ca 0.241 0.759 0.759
Ca 0.241 0.759 0.241
Ca 0.759 0.241 0.759
Ca 0.759 0.759 0.241
Ca 0.241 0.241 0.759
Ca 0.759 0.241 0.241
Al 0.250 0.250 0.250
Al 0.750 0.750 0.750
N 0.000 0.000 0.000
F 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Cr2S3.
The XRD pattern shows main peaks at: 16.3°(0.34), 19.0°(0.24), 29.9°(0.24), 34.2°(0.98), 42.9°(0.08), 45.1°(1.0), 53.0°(0.54), 64.6°(0.12), 72.1°(0.22), 88.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42480 | 5.98 5.98 10.85
90 90 120
Cr 0.333 0.667 0.250
Cr 0.333 0.667 0.996
Cr 0.000 0.000 0.005
Cr 0.667 0.333 0.750
Cr 0.667 0.333 0.479
Cr 0.333 0.667 0.504
Cr 0.000 0.000 0.495
Cr 0.667 0.333 0.021
S 0.012 0.673 0.128
S 0.342 0.328 0.617
S 0.987 0.328 0.883
S 0.327 0.988 0.372
S 0.012 0.339 0.372
S 0.661 0.988 0.128
S 0.67... |
Below is a description of a material. | The chemical formula is: ZnGeRh2.
The XRD pattern shows main peaks at: 42.1°(1.0), 61.1°(0.17), 77.0°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169780 | 4.29 4.29 4.29
60 59 60
Zn 0.750 0.750 0.750
Ge 0.250 0.250 0.250
Rh -0.000 -0.000 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Te4MoW3Se4.
The XRD pattern shows main peaks at: 2.3°(1.0), 4.6°(0.26), 11.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28900 | 3.46 3.46 38.79
89 90 120
Te 0.333 0.667 0.330
Te 0.333 0.667 0.705
Te 0.333 0.667 0.234
Te 0.333 0.667 0.609
Mo 0.333 0.667 0.470
W 0.333 0.667 0.094
W 0.667 0.333 0.282
W 0.667 0.333 0.658
Se 0.667 0.333 0.052
Se 0.667 0.333 0.428
Se 0.667 0.333 0.136
Se 0.667 0.333 0.512 |
Below is a description of a material. | The chemical formula is: Ce3B2N4.
The XRD pattern shows main peaks at: 26.8°(0.19), 28.7°(0.34), 29.2°(0.77), 33.9°(1.0), 39.7°(0.35), 45.1°(0.11), 50.5°(0.23), 51.2°(0.18), 52.2°(0.12), 54.3°(0.23), 59.1°(0.22), 60.9°(0.18), 63.5°(0.07), 81.8°(0.11).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-15243 | 3.50 6.21 6.37
119 105 90
Ce 0.198 0.698 0.396
Ce 0.802 0.302 0.604
Ce 0.000 0.000 0.000
B 0.500 0.358 0.000
B 0.500 0.642 1.000
N 0.622 0.361 0.244
N 0.622 0.883 0.244
N 0.378 0.117 0.756
N 0.378 0.639 0.756 |
Below is a description of a material. | The chemical formula is: TbCr2Si2.
The XRD pattern shows main peaks at: 16.5°(0.07), 24.5°(0.54), 32.8°(0.11), 33.4°(0.21), 34.2°(0.61), 36.9°(1.0), 47.1°(0.36), 48.5°(0.29), 58.9°(0.15), 59.4°(0.25), 62.0°(0.18), 68.8°(0.11), 70.0°(0.06), 80.7°(0.05), 88.8°(0.11).
Generate atomic structure description with lattice len... | JVASP-16106 | 3.86 3.86 6.02
108 108 90
Tb 0.000 0.000 0.000
Cr 0.250 0.750 0.500
Cr 0.750 0.250 0.500
Si 0.616 0.616 0.232
Si 0.384 0.384 0.768 |
Below is a description of a material. | The chemical formula is: Pb.
The XRD pattern shows main peaks at: 29.1°(0.08), 30.2°(0.43), 30.8°(0.38), 33.1°(1.0), 37.4°(0.25), 42.9°(0.06), 49.3°(0.11), 51.6°(0.26), 61.4°(0.33), 62.7°(0.19), 83.9°(0.05), 85.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110455 | 3.54 3.54 11.60
90 90 119
Pb 0.000 0.000 0.000
Pb 0.333 0.667 0.250
Pb 0.000 0.000 0.500
Pb 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: AlZn3.
The XRD pattern shows main peaks at: 25.0°(0.11), 39.3°(1.0), 45.6°(0.48), 66.5°(0.31), 80.1°(0.33), 84.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191312 | 3.97 3.97 4.87
114 114 90
Zn 0.250 0.750 0.500
Zn 0.750 0.250 0.500
Zn 0.500 0.500 -0.000
Al 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: B2H.
The XRD pattern shows main peaks at: 28.2°(1.0), 33.2°(0.2), 44.1°(0.44), 51.9°(0.08), 58.0°(0.2), 63.8°(0.16), 64.6°(0.08), 73.1°(0.11), 84.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-117486 | 2.24 3.58 3.10
64 111 90
B 0.356 0.699 0.423
B 0.120 0.553 -0.049
H 0.238 0.126 0.187 |
Below is a description of a material. | The chemical formula is: Mg6AlCr.
The XRD pattern shows main peaks at: 16.6°(0.09), 24.5°(0.07), 33.2°(0.13), 33.7°(0.25), 36.2°(0.39), 38.0°(0.55), 38.4°(1.0), 50.3°(0.17), 59.6°(0.18), 60.5°(0.08), 66.6°(0.19), 71.8°(0.2), 72.6°(0.16), 73.7°(0.13).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-94751 | 6.20 6.12 4.96
90 90 119
Mg 0.665 0.334 0.250
Mg 0.665 0.832 0.250
Mg 0.330 0.160 0.750
Mg 0.330 0.669 0.750
Mg 0.838 0.169 0.750
Mg 0.844 0.672 0.750
Al 0.165 0.332 0.250
Cr 0.164 0.832 0.250 |
Below is a description of a material. | The chemical formula is: Te2Au.
The XRD pattern shows main peaks at: 17.0°(0.13), 29.9°(1.0), 42.6°(0.48), 53.1°(0.18), 58.8°(0.06), 62.0°(0.12), 70.5°(0.14), 78.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12133 | 4.22 4.22 5.21
89 89 60
Te 0.328 0.328 0.289
Te 0.672 0.672 0.711
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AgP2.
The XRD pattern shows main peaks at: 17.0°(0.73), 30.6°(0.61), 34.6°(0.91), 35.2°(1.0), 35.7°(0.87), 46.0°(0.34), 46.6°(0.32), 47.4°(0.32), 52.6°(0.2), 54.3°(0.34), 61.1°(0.09), 62.2°(0.08), 66.1°(0.12), 66.5°(0.11), 66.9°(0.11), 73.0°(0.08), 74.5°(0.07), 75.7°(0.07), 79.9°(0.09), 80.7°(0... | JVASP-138489 | 3.38 3.36 6.26
123 104 60
Ag 0.002 0.982 0.989
P 0.679 0.014 0.365
P 0.324 -0.050 0.613 |
Below is a description of a material. | The chemical formula is: Ba4ScP.
The XRD pattern shows main peaks at: 15.4°(0.67), 29.8°(1.0), 31.1°(0.78), 36.1°(0.31), 39.5°(0.2), 47.5°(0.36), 52.0°(0.37), 54.6°(0.15), 61.1°(0.12), 61.9°(0.31), 64.9°(0.07), 67.2°(0.09), 73.0°(0.21), 76.6°(0.06), 84.3°(0.07), 85.0°(0.07).
Generate atomic structure description with l... | JVASP-64311 | 7.04 7.04 7.04
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Sc 0.000 0.000 0.000
P 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TmGe7.
The XRD pattern shows main peaks at: 21.0°(0.09), 25.8°(1.0), 33.5°(0.09), 36.8°(0.05), 42.8°(0.68), 50.6°(0.46), 62.1°(0.11), 68.4°(0.16), 78.3°(0.23), 84.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127459 | 5.98 5.98 5.98
90 90 90
Tm 0.500 0.500 0.500
Ge 0.764 0.764 0.764
Ge 0.500 0.000 0.000
Ge 0.764 0.236 0.236
Ge 0.000 0.500 0.000
Ge 0.236 0.764 0.236
Ge 0.000 0.000 0.500
Ge 0.236 0.236 0.764 |
Below is a description of a material. | The chemical formula is: Mg3In.
The XRD pattern shows main peaks at: 16.2°(0.28), 23.5°(0.69), 28.3°(0.28), 32.7°(0.21), 34.3°(0.27), 37.1°(1.0), 45.0°(0.17), 47.3°(0.21), 48.1°(0.15), 58.5°(0.15), 63.2°(0.19), 63.9°(0.09), 69.5°(0.18), 71.3°(0.14).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-91653 | 5.23 6.32 6.32
119 90 90
Mg 0.750 0.166 0.333
Mg 0.750 0.166 0.834
Mg 0.750 0.667 0.834
Mg 0.250 0.834 0.667
Mg 0.250 0.834 0.166
Mg 0.250 0.333 0.166
In 0.750 0.667 0.333
In 0.250 0.333 0.667 |
Below is a description of a material. | The chemical formula is: Ag3SI.
The XRD pattern shows main peaks at: 18.1°(0.19), 25.8°(0.47), 31.6°(1.0), 36.7°(0.85), 41.2°(0.53), 45.4°(0.57), 52.7°(0.25), 62.7°(0.15), 65.7°(0.07), 72.3°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51352 | 4.90 4.90 4.90
90 89 90
Ag 0.889 0.082 0.957
Ag 0.024 0.563 0.302
Ag 0.544 0.218 0.438
S 0.048 0.059 0.462
I 0.495 0.612 0.909 |
Below is a description of a material. | The chemical formula is: ZrAlZn2.
The XRD pattern shows main peaks at: 22.0°(0.12), 31.0°(0.11), 38.3°(1.0), 44.1°(0.15), 44.8°(0.31), 64.6°(0.2), 65.2°(0.1), 77.2°(0.12), 78.2°(0.23), 82.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189688 | 4.05 4.05 4.11
90 90 89
Zn 0.000 0.000 0.000
Zn 0.500 0.500 0.000
Al -0.000 0.500 0.500
Zr 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: HfV2Si2.
The XRD pattern shows main peaks at: 16.0°(0.19), 25.4°(0.56), 32.4°(0.24), 34.3°(0.75), 38.0°(1.0), 47.9°(0.35), 49.2°(0.31), 56.2°(0.14), 60.2°(0.15), 61.4°(0.32), 64.1°(0.09), 71.1°(0.21), 72.2°(0.1), 81.3°(0.06), 82.4°(0.08), 84.6°(0.2), 88.2°(0.1).
Generate atomic structure descri... | JVASP-186625 | 6.12 6.12 6.12
144 144 50
Hf 0.000 0.000 0.000
V 0.750 0.250 0.500
V 0.250 0.750 0.500
Si 0.396 0.396 -0.000
Si 0.604 0.604 0.000 |
Below is a description of a material. | The chemical formula is: Ba2FeReO6.
The XRD pattern shows main peaks at: 19.2°(0.16), 31.6°(1.0), 45.3°(0.28), 56.3°(0.39), 66.1°(0.17), 75.1°(0.18), 83.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-166551 | 5.66 5.66 5.66
90 119 119
Ba 0.500 0.250 0.750
Ba 0.500 0.750 0.250
Fe 0.000 0.000 0.000
Re 0.000 0.500 0.500
O 0.000 0.747 0.747
O -0.000 0.253 0.253
O 0.493 0.747 0.747
O 0.000 0.747 0.253
O 0.507 0.253 0.253
O -0.000 0.253 0.747 |
Below is a description of a material. | The chemical formula is: CaAlH.
The XRD pattern shows main peaks at: 13.0°(0.19), 26.2°(0.43), 27.1°(1.0), 30.1°(0.09), 38.0°(0.63), 38.7°(0.35), 39.7°(0.05), 47.3°(0.33), 48.7°(0.11), 55.8°(0.11), 56.6°(0.06), 61.3°(0.1), 62.7°(0.13), 63.1°(0.15), 68.2°(0.07), 69.5°(0.17), 87.6°(0.07).
Generate atomic structure descri... | JVASP-118357 | 3.29 3.29 6.81
90 90 90
Ca 0.000 0.000 -0.002
Al 0.000 0.000 0.441
H 0.000 0.000 0.684 |
Below is a description of a material. | The chemical formula is: GaTe.
The XRD pattern shows main peaks at: 19.4°(1.0), 21.5°(0.66), 29.1°(0.64), 37.8°(0.53), 39.3°(0.15), 42.8°(0.78), 43.9°(0.11), 45.3°(0.2), 48.4°(0.16), 55.7°(0.34), 68.2°(0.09), 71.7°(0.15), 73.7°(0.15), 81.7°(0.11), 84.0°(0.1).
Generate atomic structure description with lattice lengths, ... | JVASP-134913 | 4.76 4.76 4.58
90 90 120
Ga 0.000 0.000 0.000
Te 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: NbTe2.
The XRD pattern shows main peaks at: 12.8°(0.13), 25.8°(0.1), 30.6°(1.0), 38.2°(0.49), 48.6°(0.23), 49.0°(0.29), 53.0°(0.07), 58.9°(0.16), 63.8°(0.11), 71.5°(0.07), 75.1°(0.14), 80.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28371 | 3.72 3.72 6.91
90 90 120
Nb 0.000 0.000 0.000
Te 0.667 0.333 0.734
Te 0.333 0.667 0.266 |
Below is a description of a material. | The chemical formula is: TiRh2Pt.
The XRD pattern shows main peaks at: 22.8°(0.2), 32.8°(0.17), 40.3°(1.0), 46.6°(0.29), 47.4°(0.16), 58.2°(0.07), 68.1°(0.11), 68.7°(0.2), 82.2°(0.25), 83.3°(0.12), 87.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189112 | 3.84 3.89 3.89
90 90 90
Rh 0.000 0.000 0.500
Rh 0.000 0.500 -0.000
Pt 0.500 0.000 -0.000
Ti 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ti2Mn.
The XRD pattern shows main peaks at: 18.6°(0.14), 40.8°(1.0), 41.9°(0.98), 42.9°(0.45), 58.1°(0.15), 61.6°(0.25), 72.8°(0.07), 74.9°(0.11), 75.3°(0.13), 77.1°(0.12), 77.5°(0.11), 77.9°(0.12), 88.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-184269 | 5.21 5.21 3.01
105 72 47
Ti 0.559 0.843 0.804
Ti 0.837 0.158 0.841
Mn 0.198 0.501 0.822 |
Below is a description of a material. | The chemical formula is: BaMg2FeH8.
The XRD pattern shows main peaks at: 22.6°(1.0), 25.7°(0.39), 26.0°(0.5), 34.4°(0.92), 39.6°(0.54), 46.0°(0.14), 47.8°(0.44), 53.5°(0.26), 58.1°(0.27), 62.3°(0.13), 68.5°(0.24), 71.8°(0.05), 72.6°(0.14), 77.7°(0.1), 86.0°(0.17).
Generate atomic structure description with lattice leng... | JVASP-51746 | 4.55 4.55 6.94
90 90 119
Ba 0.000 0.000 0.500
Mg 0.667 0.333 0.113
Mg 0.333 0.667 0.887
Fe 0.000 0.000 0.000
H 0.840 0.679 0.864
H 0.321 0.160 0.864
H 0.840 0.160 0.864
H 0.160 0.321 0.136
H 0.679 0.840 0.136
H 0.160 0.840 0.136
H 0.667 0.333 0.389
H 0.333 0.667 0.611 |
Below is a description of a material. | The chemical formula is: Yb2AlTl.
The XRD pattern shows main peaks at: 20.5°(0.21), 33.8°(1.0), 39.9°(0.13), 48.6°(0.19), 53.3°(0.06), 60.5°(0.39), 71.2°(0.12), 81.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157062 | 5.30 5.30 5.30
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
Al 0.250 0.250 0.250
Tl 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: GaFeRh2.
The XRD pattern shows main peaks at: 29.7°(0.08), 42.4°(1.0), 61.6°(0.18), 77.7°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41365 | 4.26 4.26 4.26
60 60 60
Ga 0.750 0.750 0.750
Fe 0.250 0.250 0.250
Rh 0.000 0.000 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ErMg2.
The XRD pattern shows main peaks at: 17.1°(0.43), 18.4°(0.25), 19.5°(0.31), 25.2°(0.21), 29.9°(0.81), 32.8°(1.0), 34.7°(0.16), 35.3°(0.69), 35.9°(0.27), 45.0°(0.2), 50.5°(0.19), 53.1°(0.17), 55.0°(0.41), 56.7°(0.19), 59.8°(0.22), 62.2°(0.16), 68.3°(0.17), 72.1°(0.2), 87.6°(0.12), 89.1°(0... | JVASP-152074 | 5.97 5.97 9.65
90 90 119
Er 0.333 0.667 0.064
Er 0.667 0.333 0.564
Er 0.667 0.333 0.936
Er 0.333 0.667 0.436
Mg 0.000 0.000 0.000
Mg 0.000 0.000 0.500
Mg 0.829 0.658 0.250
Mg 0.342 0.171 0.250
Mg 0.829 0.171 0.250
Mg 0.171 0.342 0.750
Mg 0.658 0.829 0.750
Mg 0.171 0.829 0.750 |
Below is a description of a material. | The chemical formula is: LiMnO2.
The XRD pattern shows main peaks at: 15.5°(1.0), 24.6°(0.9), 35.5°(0.23), 36.9°(0.14), 37.3°(0.14), 38.6°(0.65), 40.6°(0.24), 41.8°(0.15), 45.2°(0.76), 53.5°(0.13), 60.9°(0.55), 62.1°(0.18), 65.3°(0.09), 66.4°(0.1), 72.0°(0.07), 78.5°(0.14), 79.5°(0.11), 82.7°(0.05), 88.2°(0.06).
Genera... | JVASP-7854 | 2.82 4.67 5.71
90 90 90
Li 0.500 0.500 0.879
Li 0.000 0.000 0.121
Mn 0.500 0.500 0.363
Mn 0.000 0.000 0.637
O 0.500 0.000 0.863
O 0.000 0.500 0.600
O 0.500 0.000 0.400
O 0.000 0.500 0.137 |
Below is a description of a material. | The chemical formula is: Y2TeO6.
The XRD pattern shows main peaks at: 19.9°(0.06), 25.3°(1.0), 32.1°(0.8), 36.1°(0.2), 49.1°(0.65), 52.0°(0.17), 58.7°(0.14), 62.4°(0.2), 74.3°(0.13), 85.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-50192 | 4.97 10.10 4.98
90 90 90
Y 1.000 0.334 0.000
Y 1.000 0.666 0.000
Y 0.500 0.166 0.500
Y 0.500 0.834 0.500
Te -0.000 0.000 0.000
Te 0.500 0.500 0.500
O 0.222 0.500 0.778
O 0.722 0.000 0.722
O 0.683 0.646 0.683
O 0.683 0.354 0.683
O 0.317 0.646 0.317
O 0.778 0.500 0.222
O 0.278 0.000 0.278
O 0.183 0.146 0.817
O 0.817 0.85... |
Below is a description of a material. | The chemical formula is: KP.
The XRD pattern shows main peaks at: 15.8°(0.28), 25.6°(0.13), 28.0°(0.29), 28.6°(0.45), 30.5°(0.11), 31.3°(1.0), 32.6°(0.32), 33.6°(0.34), 34.8°(0.16), 35.2°(0.41), 36.4°(0.1), 37.9°(0.19), 40.7°(0.12), 41.5°(0.12), 47.5°(0.15), 51.3°(0.09), 52.6°(0.18), 54.0°(0.09), 55.7°(0.12), 59.3°(0.0... | JVASP-10123 | 6.07 6.49 11.23
90 90 90
K 0.398 0.382 0.915
K 0.898 0.118 0.085
K 0.602 0.882 0.585
K 0.102 0.618 0.415
K 0.668 0.661 0.222
K 0.168 0.839 0.778
K 0.332 0.161 0.278
K 0.832 0.339 0.722
P 0.169 0.685 0.105
P 0.669 0.815 0.895
P 0.831 0.185 0.395
P 0.331 0.315 0.605
P 0.904 0.577 0.972
P 0.404 0.923 0.028
P 0.096 0.077 0... |
Below is a description of a material. | The chemical formula is: ScNbO4.
The XRD pattern shows main peaks at: 18.3°(0.29), 23.2°(0.31), 24.0°(0.47), 29.5°(1.0), 29.8°(0.98), 31.1°(0.19), 34.9°(0.22), 35.8°(0.2), 39.4°(0.15), 40.6°(0.21), 47.4°(0.17), 49.1°(0.17), 51.3°(0.3), 52.2°(0.36), 52.6°(0.22), 59.1°(0.17), 62.0°(0.19), 62.5°(0.13), 63.2°(0.2), 63.6°(0... | JVASP-26443 | 4.86 5.75 5.14
90 90 90
Sc 0.500 0.681 0.250
Sc 0.500 0.319 0.750
Nb -0.000 0.816 0.750
Nb 0.000 0.184 0.250
O 0.220 0.893 0.435
O 0.780 0.893 0.065
O 0.220 0.107 0.935
O 0.735 0.387 0.091
O 0.265 0.613 0.909
O 0.780 0.107 0.565
O 0.735 0.613 0.591
O 0.265 0.387 0.409 |
Below is a description of a material. | The chemical formula is: SiC3.
The XRD pattern shows main peaks at: 13.1°(0.41), 26.3°(1.0), 36.6°(0.25), 39.0°(0.33), 45.6°(0.24), 54.2°(0.09), 55.3°(0.11), 65.9°(0.14), 67.2°(0.08), 72.2°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124892 | 2.84 2.84 6.77
90 90 120
Si 0.000 0.000 0.000
C 0.000 0.000 0.500
C 0.667 0.333 0.000
C 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Li2C.
The XRD pattern shows main peaks at: 17.5°(1.0), 32.4°(0.2), 41.8°(0.19), 45.2°(0.28), 45.7°(0.09), 53.9°(0.05), 55.8°(0.08), 63.3°(0.17), 72.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139324 | 3.30 2.16 5.06
90 90 90
Li -0.033 0.000 0.770
Li -0.033 0.000 0.230
C 0.467 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrGa2.
The XRD pattern shows main peaks at: 37.5°(1.0), 41.5°(0.16), 43.7°(0.17), 45.3°(0.16), 61.9°(0.1), 63.1°(0.09), 64.8°(0.1), 73.1°(0.08), 76.2°(0.12), 78.4°(0.11), 79.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18713 | 4.00 4.14 6.82
90 107 90
Zr 0.649 0.000 0.298
Zr 0.351 0.000 0.702
Ga 0.000 0.000 0.000
Ga 0.500 0.500 0.000
Ga 0.821 0.500 0.641
Ga 0.179 0.500 0.359 |
Below is a description of a material. | The chemical formula is: BaBiBrO2.
The XRD pattern shows main peaks at: 13.0°(0.09), 22.6°(0.18), 26.1°(0.06), 29.3°(1.0), 30.8°(0.39), 39.7°(0.08), 40.8°(0.11), 44.1°(0.2), 51.0°(0.2), 52.0°(0.07), 53.8°(0.35), 60.8°(0.1), 64.1°(0.06), 72.0°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-103727 | 7.41 7.41 7.41
147 147 46
Ba 0.858 0.858 0.000
Bi 0.168 0.168 -0.000
Br 0.495 0.495 -0.000
O 0.739 0.239 0.500
O 0.239 0.739 0.500 |
Below is a description of a material. | The chemical formula is: MgSc.
The XRD pattern shows main peaks at: 24.9°(0.1), 35.5°(1.0), 51.1°(0.14), 63.8°(0.3), 75.2°(0.09), 86.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100208 | 3.57 5.06 5.06
90 90 90
Mg 0.500 0.750 0.250
Mg 0.500 0.250 0.750
Sc 0.000 0.750 0.750
Sc 0.000 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BaAsO3.
The XRD pattern shows main peaks at: 31.1°(1.0), 38.3°(0.11), 44.5°(0.32), 55.3°(0.4), 64.8°(0.2), 73.6°(0.18), 82.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179008 | 4.07 4.07 4.07
90 90 90
Ba 0.000 0.000 0.000
As 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PaAs.
The XRD pattern shows main peaks at: 26.7°(0.44), 30.9°(1.0), 44.3°(0.7), 52.4°(0.22), 55.0°(0.24), 64.4°(0.12), 73.1°(0.35), 81.5°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17318 | 4.09 4.09 4.09
60 60 60
Pa 0.500 0.500 0.500
As 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiAlCo2.
The XRD pattern shows main peaks at: 30.3°(0.1), 43.4°(0.57), 44.4°(1.0), 63.0°(0.17), 66.0°(0.07), 80.3°(0.33), 82.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108062 | 2.95 2.95 5.66
90 90 90
Ti 0.000 0.000 0.500
Al 0.000 0.000 0.000
Co 0.500 0.500 0.251
Co 0.500 0.500 0.749 |
Below is a description of a material. | The chemical formula is: KVS2O8.
The XRD pattern shows main peaks at: 11.5°(0.2), 26.4°(1.0), 35.1°(0.07), 37.3°(0.25), 38.0°(0.14), 39.1°(0.09), 44.4°(0.11), 46.2°(0.1), 54.3°(0.07), 60.8°(0.12), 61.8°(0.09), 67.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57215 | 4.83 4.83 8.16
89 107 120
K 0.000 0.000 0.000
V 0.000 0.500 0.500
S 0.519 0.760 0.279
S 0.481 0.240 0.721
O 0.160 0.247 0.655
O 0.592 0.086 0.345
O 0.741 0.494 0.655
O 0.840 0.753 0.345
O 0.393 0.697 0.090
O 0.259 0.506 0.345
O 0.408 0.914 0.655
O 0.607 0.303 0.910 |
Below is a description of a material. | The chemical formula is: MgNbNi4.
The XRD pattern shows main peaks at: 22.8°(0.19), 26.4°(0.11), 37.7°(0.26), 44.5°(1.0), 46.6°(0.44), 54.4°(0.05), 72.8°(0.28), 80.5°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189520 | 4.77 4.77 4.77
60 60 60
Ni 0.126 0.625 0.625
Ni 0.625 0.625 0.126
Ni 0.625 0.126 0.625
Ni 0.625 0.625 0.625
Nb 0.000 0.000 -0.000
Mg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TlMoF4.
The XRD pattern shows main peaks at: 13.4°(0.07), 26.3°(1.0), 27.0°(0.26), 32.0°(0.31), 34.9°(0.14), 35.5°(0.09), 42.4°(0.19), 45.9°(0.18), 47.3°(0.27), 53.7°(0.28), 54.1°(0.16), 65.8°(0.07), 67.0°(0.06), 68.1°(0.18), 73.3°(0.06), 75.0°(0.07), 76.1°(0.08), 82.6°(0.06).
Generate atomic s... | JVASP-116024 | 3.95 3.95 6.60
90 90 90
Tl 0.500 0.500 0.500
Mo 0.000 0.000 0.000
F 0.000 0.000 0.692
F 0.000 0.000 0.308
F 0.500 0.000 0.000
F 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaHfP2O8.
The XRD pattern shows main peaks at: 11.2°(0.21), 19.6°(1.0), 20.9°(0.63), 22.5°(0.31), 24.4°(0.12), 29.5°(0.76), 30.6°(0.57), 31.9°(0.16), 33.5°(0.27), 35.8°(0.49), 40.8°(0.27), 41.6°(0.17), 43.9°(0.14), 45.5°(0.21), 47.0°(0.16), 49.8°(0.22), 51.1°(0.11), 57.5°(0.11), 59.2°(0.12), 61... | JVASP-96088 | 5.03 5.03 7.90
86 86 64
Ba -0.000 0.000 0.500
Hf -0.000 0.000 0.000
P 0.365 0.365 0.781
P 0.635 0.635 0.219
O 0.769 0.296 0.189
O 0.230 0.230 0.919
O 0.314 0.314 0.600
O 0.686 0.686 0.400
O 0.770 0.770 0.081
O 0.296 0.769 0.189
O 0.704 0.231 0.811
O 0.231 0.704 0.811 |
Below is a description of a material. | The chemical formula is: Li5Mn2CoO8.
The XRD pattern shows main peaks at: 11.0°(0.26), 15.3°(0.17), 18.8°(1.0), 27.2°(0.08), 33.4°(0.08), 37.0°(0.23), 44.6°(0.59), 45.2°(0.28), 49.2°(0.07), 58.8°(0.09), 64.4°(0.07), 65.1°(0.15), 65.7°(0.16), 83.2°(0.06).
Generate atomic structure description with lattice lengths, angle... | JVASP-142529 | 2.85 5.79 8.03
89 90 89
Li 1.000 0.508 0.015
Li 0.500 0.250 0.250
Li 0.500 0.750 0.750
Li 0.000 0.992 0.485
Li 0.500 0.750 0.250
Mn -0.000 0.997 0.009
Mn 0.000 0.503 0.491
Co 0.500 0.250 0.750
O 0.500 0.230 0.989
O -0.000 0.003 0.232
O -0.000 0.475 0.742
O 0.500 0.723 0.504
O 0.500 0.777 0.996
O 0.000 0.497 0.268
O 0.0... |
Below is a description of a material. | The chemical formula is: Ga2IrRh.
The XRD pattern shows main peaks at: 25.3°(0.09), 29.3°(0.15), 41.9°(1.0), 60.8°(0.15), 68.9°(0.05), 76.5°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39706 | 4.31 4.31 4.31
60 60 60
Ga 0.000 0.000 0.000
Ga 0.500 0.500 0.500
Ir 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YBe2Ni.
The XRD pattern shows main peaks at: 30.3°(1.0), 37.5°(0.76), 48.8°(0.35), 58.6°(0.15), 63.2°(0.37), 71.9°(0.09), 79.6°(0.12), 83.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188312 | 3.73 3.73 5.25
69 69 59
Y 0.250 0.250 0.250
Ni 0.750 0.750 0.750
Be 0.057 0.057 0.829
Be 0.443 0.443 0.671 |
Below is a description of a material. | The chemical formula is: Li5MnCo2O8.
The XRD pattern shows main peaks at: 11.0°(0.21), 15.4°(0.1), 18.9°(1.0), 22.1°(0.07), 27.1°(0.07), 37.2°(0.27), 45.0°(0.74), 49.4°(0.07), 59.4°(0.12), 64.9°(0.07), 65.4°(0.14), 65.8°(0.13), 66.3°(0.07), 83.7°(0.06).
Generate atomic structure description with lattice lengths, angles... | JVASP-121806 | 2.82 5.74 8.05
89 90 90
Li 0.000 -0.000 0.500
Li 0.500 0.262 0.275
Li 0.000 0.500 0.000
Li 0.500 0.738 0.725
Li 0.000 0.500 0.500
Mn 0.000 0.000 0.000
Co 0.500 0.258 0.743
Co 0.500 0.742 0.257
O 0.000 0.524 0.247
O 0.500 0.772 0.008
O 0.000 0.021 0.764
O 0.500 0.248 0.518
O 0.000 0.476 0.753
O 0.500 0.752 0.482
O 0.000... |
Below is a description of a material. | The chemical formula is: Be4AlOs.
The XRD pattern shows main peaks at: 25.2°(1.0), 29.1°(0.4), 41.7°(0.6), 49.3°(0.64), 51.7°(0.12), 60.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194456 | 4.33 4.33 4.33
59 60 60
Al 0.000 0.000 -0.000
Be 0.131 0.623 0.623
Be 0.623 0.623 0.623
Be 0.623 0.131 0.623
Be 0.623 0.623 0.131
Os 0.250 0.250 0.250 |
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